[chimera-dev] developing my own trajectory parser
Eric Pettersen
pett at cgl.ucsf.edu
Mon May 20 22:18:47 PDT 2013
Hi Denny,
Hardly a newbie question! Anyway, there actually is documentation for adding a format at the end of the MD Movie help page:
http://www.cgl.ucsf.edu/chimera/current/docs/ContributedSoftware/movie/movie.html#newformats
You should read that and see how far it gets you. Feel free to send any questions here or directly to me -- that will help me determine where the documentation needs more detail.
BTW, you were certainly on the right track in that you need to add a folder to Trajectories/formats that supports your format. Though unless your format is based on DCD files, Gromacs is probably a better example to look at than Charmm.
Anyway, like I said, don't be shy with the questions!
--Eric
Eric Pettersen
UCSF Computer Graphics Lab
http://www.cgl.ucsf.edu
On May 17, 2013, at 9:37 PM, Dennis N Bromley <dbromley at uw.edu> wrote:
> Hi,
>
> I apologize if this is a newbie question - I've searched for material but didn't seem to find any answers.
>
> I would like to write a plugin that allows chimera to parse up my own trajectory format. I would like it to be seekable rather than loading the whole shebang into memory at once. Is there an example trajectory parser out there or maybe someone could point me in the right direction? I saw charmm.py, which might be a good place to start, but I am not sure of which bits I need to replicate. Any pointers on a good place to begin looking would be very appreciated.
>
> thank you!
> -denny-
>
>
>
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